S422-0091 Screening compound: 2-ethoxy-6-(1-methyl-1H-indazole-3-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

S422-0091 Screening compound: 2-ethoxy-6-(1-methyl-1H-indazole-3-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
S422-0091 Screening compound: 2-ethoxy-6-(1-methyl-1H-indazole-3-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S422-0091
2-ethoxy-6-(1-methyl-1H-indazole-3-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S422-0091

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

2-ethoxy-6-(1-methyl-1H-indazole-3-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

IUPAC name

2-ethoxy-6-(1-methyl-1H-indazole-3-carbonyl)-5678-tetrahydro-16-naphthyridine

SMILES

CCOc1nc(CCN(C2)C(c3nn(C)c4c3cccc4)=O)c2cc1

InChI

InChI=1S/C19H20N4O2/c1-3-25-17-9-8-13-12-23(11-10-15(13)20-17)19(24)18-14-6-4-5-7-16(14)22(2)21-18/h4-9H,3,10-12H2,1-2H3

InChI Key

YOTIRFHJSBNHFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-2.68

Polar Surface Area

48.225

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S422-0091 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S422-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S422-0091?
Check Price and Availability of S422-0091, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S422-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S422-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S422-0091
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S422-0091 available by request